| SpectraBase Compound ID | 7Jj4aUhQ4yh |
|---|---|
| InChI | InChI=1S/C17H21N6O5PS/c18-15-13-16(21-8-20-15)23(9-22-13)17-14(24)12(11(28-17)7-27-29(25,26)30)19-6-10-4-2-1-3-5-10/h1-5,8-9,11-12,14,17,19,24H,6-7H2,(H2,18,20,21)(H2,25,26,30)/t11-,12-,14-,17-/m0/s1 |
| InChIKey | VHPLWHHRJFYXQU-GWIFVGGISA-N |
| Mol Weight | 452.43 g/mol |
| Molecular Formula | C17H21N6O5PS |
| Exact Mass | 452.103176 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3K3OnrLjS78 |
|---|---|
| Name | VHPLWHHRJFYXQU-GWIFVGGISA-N |
| Compound Number | 18A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C17H19N6O5PS |
| InChI | InChI=1S/C17H21N6O5PS/c18-15-13-16(21-8-20-15)23(9-22-13)17-14(24)12(11(28-17)7-27-29(25,26)30)19-6-10-4-2-1-3-5-10/h1-5,8-9,11-12,14,17,19,24H,6-7H2,(H2,18,20,21)(H2,25,26,30)/t11-,12-,14-,17-/m0/s1 |
| InChIKey | VHPLWHHRJFYXQU-GWIFVGGISA-N |
| Literature Reference Author | M.MORR,L.ERNST |
| Literature Reference Citation | CHEM.BER.,111,2152(1978) |
| Literature Reference DOI | 10.1002/cber.19781110612 |
| Molecular Weight | 450.409 g/mol |
| Solvent | D2O,PD=8-10 |
| Source File Reference | UWCS8984 |